3-butoxy-1-naphthalen-1-yl-thiolan-1-ium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: 3-butoxy-1-naphthalen-1-yl-thiolan-1-ium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: 3-butoxy-1-(1-naphthyl)tetrahydrothiophen-1-ium; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: 3-butoxy-1-(1-naphthalenyl)thiolan-1-ium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate IUPAC Name: 3-butoxy-1-naphthalen-1-ylthiolan-1-ium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: 3-butoxy-1-(1-naphthyl)tetrahydrothiophen-1-ium; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonate Formula: C28H38O5S2 MolecularWeight: 518.72832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC[S+](C1)C2=CC=CC3=CC=CC=C32.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C

Isomeric SMILES

CCCCOC1CC[S+](C1)C2=CC=CC3=CC=CC=C32.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C

InChI

InChI=1S/C18H23OS.C10H16O4S/c1-2-3-12-19-16-11-13-20(14-16)18-10-6-8-15-7-4-5-9-17(15)18;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h4-10,16H,2-3,11-14H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1